⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28844071 | 0.93 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL12334993 | 0.90 | — | — | |
| SCHEMBL2201861 | 0.87 | SMN1; SMN2 (0.54) | — | |
| SCHEMBL2202711 | 0.81 | CES2 (0.53) | — | |
| SCHEMBL19774486 | 0.79 | EPHX2 (0.33) | — | |
| SCHEMBL28268207 | 0.79 | CHRNB2 (0.41) | — | |
| SCHEMBL18408 | 0.79 | — | — | |
| SCHEMBL2833747 | 0.79 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL2198986 | 0.78 | CES2 (0.58) | — | |
| SCHEMBL23458811 | 0.77 | SMN1; SMN2 (0.62) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117957223-A | Quinoline derivatives | 礼蓝动物保健有限公司 | 2024-04-30 | — | — | CN | disclosed |